2-[3-(cyanomethyl)benzimidazol-3-ium-1-yl]ethanenitrile

Systemtic Name: 2-[3-(cyanomethyl)benzimidazol-3-ium-1-yl]ethanenitrile Openeye Name: 2-[3-(cyanomethyl)benzimidazol-3-ium-1-yl]acetonitrile CAS Name: 2-[3-(cyanomethyl)-1-benzimidazol-3-iumyl]acetonitrile IUPAC Name: 2-[3-(cyanomethyl)benzimidazol-3-ium-1-yl]acetonitrile Traditional Name: 2-[3-(cyanomethyl)benzimidazol-3-ium-1-yl]acetonitrile Formula: C11H9N4+ MolecularWeight: 197.21596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C=[N+]2CC#N)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)N(C=[N+]2CC#N)CC#N

InChI

InChI=1S/C11H9N4/c12-5-7-14-9-15(8-6-13)11-4-2-1-3-10(11)14/h1-4,9H,7-8H2/q+1